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Atmospheric reaction of methyl mercaptan with hydroxyl radical as an acid rain primary agent

For the CH(3)SH + OH atmospheric reaction, we study the mechanism, potential energy surface, thermodynamic parameters of all stationary points, and rate of generation of the main product channels at high, low, and intermediate pressures. In this study, the UMP2, UM062X, UB3LYP, and CCSD(T) methods b...

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Detalles Bibliográficos
Autores principales: Douroudgari, Hamed, Vahedpour, Morteza, Mohammadi, Samane
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7583294/
https://www.ncbi.nlm.nih.gov/pubmed/33093495
http://dx.doi.org/10.1038/s41598-020-74767-6